4-methoxy-N-(4-methoxy-3-methylphenyl)-2-methylbenzenesulfonamide

C16H19NO4S — CID 110776438

IUPAC4-methoxy-N-(4-methoxy-3-methylphenyl)-2-methylbenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccc(OC)c(C)c2)c(C)c1
InChIInChI=1S/C16H19NO4S/c1-11-9-13(5-7-15(11)21-4)17-22(18,19)16-8-6-14(20-3)10-12(16)2/h5-10,17H,1-4H3
InChIKeyPKUCRNIPGJPGBF-UHFFFAOYSA-N
MW321.40 g/mol
LogP3.12
Rot. Bonds5

About 4-methoxy-N-(4-methoxy-3-methylphenyl)-2-methylbenzenesulfonamide

4-methoxy-N-(4-methoxy-3-methylphenyl)-2-methylbenzenesulfonamide (PubChem CID 110776438) has the molecular formula C16H19NO4S and a molecular weight of 321.40 g/mol. Its IUPAC name is 4-methoxy-N-(4-methoxy-3-methylphenyl)-2-methylbenzenesulfonamide.

Molecular Properties

Compound Name4-methoxy-N-(4-methoxy-3-methylphenyl)-2-methylbenzenesulfonamide
PubChem CID110776438
Molecular FormulaC16H19NO4S
Molecular Weight321.40 g/mol
Exact Mass321.10
IUPAC Name4-methoxy-N-(4-methoxy-3-methylphenyl)-2-methylbenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccc(OC)c(C)c2)c(C)c1
InChIInChI=1S/C16H19NO4S/c1-11-9-13(5-7-15(11)21-4)17-22(18,19)16-8-6-14(20-3)10-12(16)2/h5-10,17H,1-4H3
InChIKeyPKUCRNIPGJPGBF-UHFFFAOYSA-N
XLogP3.12
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.40
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,4-dimethylphenyl)-2,4-dimethoxybenzenesulfonamide
CID 19683549
N-(3-amino-4-methylphenyl)-4-methoxy-2-methylbenzenesulfonamide
CID 39439925
N-(4-fluoro-3-methylphenyl)-2,4-dimethoxybenzenesulfonamide
CID 110776380
4-methoxy-2-methyl-N-quinoxalin-6-ylbenzenesulfonamide
CID 110723752
[4-[(4-methoxy-2-methylphenyl)sulfonylamino]phenyl]urea
CID 47062796
2,4-dimethoxy-N-(4-methoxyphenyl)benzenesulfonamide
CID 22774026
N-[4-(butylamino)phenyl]-4-methoxy-2-methylbenzenesulfonamide
CID 112980291
3-[(4-methoxy-2-methylphenyl)sulfonylamino]benzamide
CID 87026601
4-methoxy-2-methyl-N-(1-methylbenzimidazol-5-yl)benzenesulfonamide
CID 110728593
2,4-dimethoxy-N-(3-methylphenyl)benzenesulfonamide
CID 22773637
N-(3,4-difluorophenyl)-2,4-dimethoxybenzenesulfonamide
CID 22773465
2,5-dimethoxy-N-(3-methylphenyl)benzenesulfonamide
CID 3383057

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-(4-methoxy-3-methylphenyl)-2-methylbenzenesulfonamide?
The IUPAC name of 4-methoxy-N-(4-methoxy-3-methylphenyl)-2-methylbenzenesulfonamide (CID 110776438) is 4-methoxy-N-(4-methoxy-3-methylphenyl)-2-methylbenzenesulfonamide.
What is the SMILES notation for 4-methoxy-N-(4-methoxy-3-methylphenyl)-2-methylbenzenesulfonamide?
The canonical SMILES for 4-methoxy-N-(4-methoxy-3-methylphenyl)-2-methylbenzenesulfonamide is COc1ccc(S(=O)(=O)Nc2ccc(OC)c(C)c2)c(C)c1.
What is the InChIKey of 4-methoxy-N-(4-methoxy-3-methylphenyl)-2-methylbenzenesulfonamide?
The InChIKey is PKUCRNIPGJPGBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO4S/c1-11-9-13(5-7-15(11)21-4)17-22(18,19)16-8-6-14(20-3)10-12(16)2/h5-10,17H,1-4H3.
What are the key properties of 4-methoxy-N-(4-methoxy-3-methylphenyl)-2-methylbenzenesulfonamide?
4-methoxy-N-(4-methoxy-3-methylphenyl)-2-methylbenzenesulfonamide has a molecular weight of 321.40 g/mol, XLogP of 3.12, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-(4-methoxy-3-methylphenyl)-2-methylbenzenesulfonamide is sourced from PubChem (CID 110776438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).